Crystallography Open Database

Information card for entry 4328416

Preview

Coordinates	4328416.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H12 Cu4 O22
Calculated formula	C77 H12 Cu4 O22
Title of publication	Highly Porous 4,8-Connected Metal-Organic Frameworks: Synthesis, Characterization, and Hydrogen Uptake
Authors of publication	David J. Mihalcik; Teng Zhang; Liqing Ma; Wenbin Lin
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2503 - 2508
a	19.0289 ± 0.0001 Å
b	19.0289 ± 0.0001 Å
c	21.9107 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	7933.84 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	75
Hermann-Mauguin space group symbol	P 4
Hall space group symbol	P 4
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1026
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	0.808
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179387 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/84.	4328416.cif
77382	2013-03-26	cif/ Adding structures of 4328416 via cif-deposit CGI script.	4328416.cif